1,3-dimethylbenzene-5-ide;iodozinc(1+)

C8H9IZn — CID 4104848

IUPAC1,3-dimethylbenzene-5-ide;iodozinc(1+)
SMILESCc1c[c-]cc(C)c1.[Zn+]I
InChIInChI=1S/C8H9.HI.Zn/c1-7-4-3-5-8(2)6-7;;/h4-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyBSYFSJQVIZBAMI-UHFFFAOYSA-M
MW297.45 g/mol
LogP2.99
Rot. Bonds

About 1,3-dimethylbenzene-5-ide;iodozinc(1+)

1,3-dimethylbenzene-5-ide;iodozinc(1+) (PubChem CID 4104848) has the molecular formula C8H9IZn and a molecular weight of 297.45 g/mol. Its IUPAC name is 1,3-dimethylbenzene-5-ide;iodozinc(1+).

Molecular Properties

Compound Name1,3-dimethylbenzene-5-ide;iodozinc(1+)
PubChem CID4104848
Molecular FormulaC8H9IZn
Molecular Weight297.45 g/mol
Exact Mass295.90
IUPAC Name1,3-dimethylbenzene-5-ide;iodozinc(1+)
SMILESCc1c[c-]cc(C)c1.[Zn+]I
InChIInChI=1S/C8H9.HI.Zn/c1-7-4-3-5-8(2)6-7;;/h4-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyBSYFSJQVIZBAMI-UHFFFAOYSA-M
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,3-dimethylbenzene-5-ide;iodozinc(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylbenzene-5-ide;iodozinc(1+)?
The IUPAC name of 1,3-dimethylbenzene-5-ide;iodozinc(1+) (CID 4104848) is 1,3-dimethylbenzene-5-ide;iodozinc(1+).
What is the SMILES notation for 1,3-dimethylbenzene-5-ide;iodozinc(1+)?
The canonical SMILES for 1,3-dimethylbenzene-5-ide;iodozinc(1+) is Cc1c[c-]cc(C)c1.[Zn+]I.
What is the InChIKey of 1,3-dimethylbenzene-5-ide;iodozinc(1+)?
The InChIKey is BSYFSJQVIZBAMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9.HI.Zn/c1-7-4-3-5-8(2)6-7;;/h4-6H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of 1,3-dimethylbenzene-5-ide;iodozinc(1+)?
1,3-dimethylbenzene-5-ide;iodozinc(1+) has a molecular weight of 297.45 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbenzene-5-ide;iodozinc(1+) is sourced from PubChem (CID 4104848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).